A primary goal of metabolomics studies is to fully characterize the small-molecule
composition of complex biological and environmental samples. However, despite advances …

Specialized computational chemistry packages have permanently reshaped the landscape
of chemical and materials science by providing tools to support and guide experimental …

We review the recent advances in the investigation of the dynamics of ion–molecule
reactions. During the past decade, the combination of single-collision experiments in …

In a direct dynamics simulation, the technologies of chemical dynamics and electronic
structure theory are coupled so that the potential energy, gradient, and Hessian required …

Bimolecular nucleophilic substitution reactions have been studied for more than a century.
Experimental and theoretical investigations of these reactions are extensively going on due …

A range of ion–molecule reactions have been studied in the last years using the crossed-
beam ion imaging technique, from charge transfer and proton transfer to nucleophilic …

Bimolecular nucleophilic substitution (SN2) plays a vital role in organic synthesis. Compared
with nucleophiles with one reactive center, ambident nucleophiles can form isomer products …

The competition between bimolecular nucleophilic substitution and base-induced
elimination is of fundamental importance for the synthesis of pure samples in organic …

Competiting SN2 substitution and E2 elimination reactions are of central importance in
preparative organic synthesis. Here, we unravel how individual solvent molecules may affect …

Bimolecular nucleophilic substitution () reactions have become a model system for the
investigation of structure–reactivity relationships, stereochemistry, solvent influences, and …